UCSF

ZINC36786949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 5 -134.04 4 4 2 51 266.385 5
Hi High (pH 8-9.5) 2.07 3.9 -36.06 3 4 1 49 265.377 5
Mid Mid (pH 6-8) 2.07 2.83 -49.8 3 4 1 49 265.377 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )